(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C19H18ClN3O3 — CID 135898154

IUPAC(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18ClN3O3/c1-12(26-14-9-7-13(20)8-10-14)19(25)23(2)11-17-21-16-6-4-3-5-15(16)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,21,22,24)/t12-/m0/s1
InChIKeySHBJNLBQPQGOOV-LBPRGKRZSA-N
MW371.82 g/mol
LogP3.00
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135898154) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135898154
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18ClN3O3/c1-12(26-14-9-7-13(20)8-10-14)19(25)23(2)11-17-21-16-6-4-3-5-15(16)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,21,22,24)/t12-/m0/s1
InChIKeySHBJNLBQPQGOOV-LBPRGKRZSA-N
XLogP3.00
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135939340
2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962144
(2R)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 135877118
(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135956667
N-benzyl-2-(3-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738162
(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide
CID 135941956
N-benzyl-2-(4-bromophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738147
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
(2R)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920487
(2S)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920488
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831692
(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135881182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135898154) is (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is SHBJNLBQPQGOOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(26-14-9-7-13(20)8-10-14)19(25)23(2)11-17-21-16-6-4-3-5-15(16)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,21,22,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 371.82 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135898154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).